Detailed information for compound 1447838

Basic information

Technical information
  • TDR Targets ID: 1447838
  • Name: 3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sul fonyl]-N-[2-(4-methylphenyl)ethyl]propanamide
  • MW: 416.491 | Formula: C21H24N2O5S
  • H donors: 2 H acceptors: 4 LogP: 2.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCS(=O)(=O)c1cc2OCC(=O)Nc2cc1C)NCCc1ccc(cc1)C
  • InChi: 1S/C21H24N2O5S/c1-14-3-5-16(6-4-14)7-9-22-20(24)8-10-29(26,27)19-12-18-17(11-15(19)2)23-21(25)13-28-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,24)(H,23,25)
  • InChiKey: KUBGWKPMNYJMKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[2-(4-methylphenyl)ethyl]propionamide
  • E511-0117
  • NCGC00121830-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0976 0.0363
Schistosoma mansoni cyclin B3 0.0052 0.0976 0.11
Plasmodium falciparum enoyl-acyl carrier reductase 0.0181 0.425 1
Brugia malayi PHD-finger family protein 0.003 0.0413 0.0685
Brugia malayi beta-lactamase family protein 0.0043 0.0752 0.1249
Trypanosoma cruzi cyclin, putative 0.0052 0.0976 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0181 0.425 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Loa Loa (eye worm) hypothetical protein 0.0057 0.1086 0.1803
Trichomonas vaginalis cyclins, putative 0.0052 0.0976 0.0363
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Loa Loa (eye worm) hypothetical protein 0.0035 0.0543 0.0901
Brugia malayi Cyclin, N-terminal domain containing protein 0.0052 0.0976 0.162
Giardia lamblia G2/mitotic-specific cyclin B 0.0052 0.0976 1
Echinococcus granulosus peregrin 0.0038 0.0615 0.0451
Echinococcus granulosus cyclins 0.0052 0.0976 0.0818
Echinococcus multilocularis transient receptor potential cation channel 0.0333 0.8098 0.8065
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2574 0.2445
Onchocerca volvulus 0.0287 0.6918 1
Entamoeba histolytica cyclin family protein 0.0052 0.0976 0.5
Trichomonas vaginalis cyclin B, putative 0.0052 0.0976 0.0363
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6696 1
Trichomonas vaginalis cyclin B, putative 0.0052 0.0976 0.0363
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1478 0.1329
Echinococcus multilocularis cyclin B 0.0052 0.0976 0.0818
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0564 0.0572
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0181 0.425 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Trypanosoma cruzi cyclin, putative 0.0052 0.0976 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2574 0.2445
Brugia malayi beta-lactamase family protein 0.0043 0.0752 0.1249
Trichomonas vaginalis cyclin D, putative 0.0052 0.0976 0.0363
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.1086 0.093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0789 0.086
Brugia malayi Pre-SET motif family protein 0.0036 0.0564 0.0936
Trichomonas vaginalis cyclin B3, putative 0.0052 0.0976 0.0363
Echinococcus granulosus fatty acid amide hydrolase 1 0.0102 0.2233 0.2097
Schistosoma mansoni fatty-acid amide hydrolase 0.0102 0.2233 0.2712
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0543 0.0377
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Giardia lamblia Cyclin A 0.0052 0.0976 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0564 0.0399
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0752 0.1249
Plasmodium vivax SET domain protein, putative 0.0036 0.0564 0.0058
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0102 0.2233 0.2097
Leishmania major cyclin 0.0052 0.0976 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6906 1
Trypanosoma cruzi cyclin 6, putative 0.0052 0.0976 1
Brugia malayi Pre-SET motif family protein 0.0251 0.6025 1
Echinococcus multilocularis ankyrin repeat protein 0.0326 0.7917 0.7881
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1086 0.1241
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.1086 0.093
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0052 0.0976 0.0818
Brugia malayi Cyclin, N-terminal domain containing protein 0.0052 0.0976 0.162
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.1086 0.1241
Echinococcus granulosus cyclin b3 0.0052 0.0976 0.0818
Trichomonas vaginalis cyclins, putative 0.0052 0.0976 0.0363
Loa Loa (eye worm) hypothetical protein 0.0052 0.0976 0.162
Entamoeba histolytica cyclin family protein 0.0052 0.0976 0.5
Echinococcus granulosus zinc finger protein 0.0024 0.0249 0.0079
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Trichomonas vaginalis cyclins, putative 0.0052 0.0976 0.0363
Trypanosoma brucei mitotic cyclin 6 0.0052 0.0976 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0564 0.0058
Schistosoma mansoni bromodomain containing protein 0.0076 0.1588 0.1885
Plasmodium falciparum cyclin 0.0052 0.0976 0.1169
Trichomonas vaginalis cyclin B, putative 0.0052 0.0976 0.0363
Loa Loa (eye worm) hypothetical protein 0.006 0.1165 0.1933
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0752 0.0591
Echinococcus granulosus cyclin B 0.0052 0.0976 0.0818
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0282 0.0467
Trichomonas vaginalis cyclins, putative 0.0052 0.0976 0.0363
Brugia malayi Bromodomain containing protein 0.0046 0.0823 0.1366
Brugia malayi PHD-finger family protein 0.0035 0.0543 0.0901
Trichomonas vaginalis cyclin A, putative 0.0052 0.0976 0.0363
Echinococcus granulosus cyclin B3 1 0.0052 0.0976 0.0818
Loa Loa (eye worm) beta-lactamase 0.0043 0.0752 0.1249
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0752 0.0566
Echinococcus granulosus cyclins 0.0052 0.0976 0.0818
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0172 0.0069
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.075 0.0588
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1973 0.2379
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0543 0.0377
Brugia malayi Bromodomain containing protein 0.0038 0.0615 0.1021
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.034 0.0171
Trypanosoma cruzi CYC2-like cyclin, putative 0.0052 0.0976 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0892 0.0733
Schistosoma mansoni cyclins 0.0052 0.0976 0.11
Giardia lamblia Hypothetical protein 0.0052 0.0976 1
Trichomonas vaginalis cyclin B, putative 0.0052 0.0976 0.0363
Loa Loa (eye worm) hypothetical protein 0.0052 0.0976 0.162
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0326 0.7917 1
Trichomonas vaginalis cyclins, putative 0.0052 0.0976 0.0363
Loa Loa (eye worm) hypothetical protein 0.0043 0.0752 0.1249
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0181 0.425 1
Echinococcus multilocularis peregrin 0.0038 0.0615 0.0451
Echinococcus granulosus fatty acid amide hydrolase 1 0.0102 0.2233 0.2097
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6025 1
Schistosoma mansoni hypothetical protein 0.0035 0.0543 0.0544
Echinococcus granulosus cyclins 0.0052 0.0976 0.0818
Echinococcus multilocularis cyclin B3 1 0.0052 0.0976 0.0818
Loa Loa (eye worm) hypothetical protein 0.0102 0.2233 0.3706
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0543 0.0544
Brugia malayi jmjC domain containing protein 0.0115 0.2574 0.4273
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Schistosoma mansoni zinc finger protein 0.0024 0.0249 0.0168
Onchocerca volvulus 0.0043 0.0752 0.0329
Echinococcus granulosus transient receptor potential cation channel 0.0333 0.8086 0.8052
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0564 0.0572
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0172 0.0069
Trichomonas vaginalis cyclin D, putative 0.0052 0.0976 0.0363
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.034 0.0285
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0052 0.0976 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0052 0.0976 0.162
Loa Loa (eye worm) hypothetical protein 0.0052 0.0956 0.1587
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0181 0.425 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0191 0.0317
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.034 0.0171
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0543 0.0901
Brugia malayi F/Y-rich N-terminus family protein 0.0015 0.0034 0.0056
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1165 0.1342
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0752 0.7394
Onchocerca volvulus 0.0043 0.0752 0.0329
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0752 0.0813
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0752 0.0813
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0102 0.2233 0.2097
Echinococcus multilocularis cyclin b3 0.0052 0.0976 0.0818
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Loa Loa (eye worm) cyclin domain-containing protein 0.0052 0.0976 0.162
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0731 0.0568
Onchocerca volvulus 0.0052 0.0976 0.068
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Loa Loa (eye worm) hypothetical protein 0.0049 0.0897 0.149
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0181 0.425 0.5885
Echinococcus granulosus ankyrin repeat protein 0.0326 0.7917 0.7881
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1494 0.2479
Brugia malayi beta-lactamase 0.0043 0.0752 0.1249
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.053 0.0365
Onchocerca volvulus 0.006 0.1165 0.0975
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0181 0.425 1
Brugia malayi Bromodomain containing protein 0.0091 0.1947 0.3232
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Trichomonas vaginalis cyclin B, putative 0.0052 0.0976 0.0363
Entamoeba histolytica cyclin, putative 0.0052 0.0976 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0752 0.7394
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0752 0.1249
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0752 0.7394
Schistosoma mansoni hypothetical protein 0.0025 0.0282 0.021
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0789 0.0628
Toxoplasma gondii hypothetical protein 0.004 0.0656 0.0306
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0892 0.0733
Loa Loa (eye worm) hypothetical protein 0.0085 0.1816 0.3014
Echinococcus multilocularis zinc finger protein 0.0024 0.0249 0.0079
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0789 0.086
Schistosoma mansoni amidase 0.0102 0.2233 0.2712
Echinococcus granulosus cyclins 0.0052 0.0976 0.0818
Echinococcus multilocularis cyclins 0.0052 0.0976 0.0818
Schistosoma mansoni cyclin B 0.0052 0.0976 0.11
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1478 0.1329
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0181 0.425 1
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Leishmania major hypothetical protein, conserved 0.0043 0.0752 0.7394
Brugia malayi jmjC domain containing protein 0.0045 0.0789 0.131
Loa Loa (eye worm) hypothetical protein 0.0046 0.0825 0.1369
Toxoplasma gondii ABC1 family protein 0.0043 0.0752 0.0566
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.075 0.0588
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0789 0.131
Entamoeba histolytica cyclin, putative 0.0052 0.0976 0.5
Echinococcus granulosus cyclins 0.0052 0.0976 0.0818
Trichomonas vaginalis hypothetical protein 0.0181 0.425 0.5684
Brugia malayi amidase 0.0102 0.2233 0.3706
Onchocerca volvulus 0.0036 0.0564 0.0034
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0752 0.0591
Loa Loa (eye worm) hypothetical protein 0.006 0.1181 0.196
Onchocerca volvulus 0.0043 0.0752 0.0329
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0052 0.0976 0.0818

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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